PM7 Accuracy

diethyl thioether   2089 Diethyl thioether

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    #  Species Formula
  2079 IsopropanthiolC3H8S
  2080 MethylethylthioetherC3H8S
  2081 ThiopheneC4H4S
  2082 Thiophene (Geo)C4H4S
  2083 2,3-DihydrothiopheneC4H6S
  2084 2,5-DihydrothiopheneC4H6S
  2085 cis DimethylthiiraneC4H8S
  2086 TetrahydrothiopheneC4H8S
  2087 trans dimethylthiiraneC4H8S
  2088 ButanethiolC4H10S
  2089 Diethyl thioether C4H10S
  2090 MethylpropylthioetherC4H10S
  2091 (CH3CH2)2S-BH3H13BC4S
  2092 CyclopentanthiolC5H10S
  2093 ThiacyclohexaneC5H10S
  2094 ThiophenolC6H6S
  2095 CyclohexanethiolC6H12S
  2096 2,3-Dimethyl-2-butanethiolC6H14S
  2097 2-Methyl-2-pentanethiolC6H14S
  2098 Butyl ethyl sulfideC6H14S
  2099 Methyl pentyl sulfideC6H14S


DHf: -19.9 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
  
 PM7
Diethyl thioether
 H=-19.89,0.19 HR=C&P1970 S=87.98 CP=27.96
  C    -0.01286826  1  -0.08132901  1   0.08020169  1
  C     1.50456635  1  -0.02711161  1   0.05843678  1
  S     2.15241729  1   1.69108137  1   0.08395458  1
  C     1.97937123  1   2.18042240  1   1.84539015  1
  C     3.07262688  1   1.59988463  1   2.72529363  1
  H     2.99104002  1   1.98032836  1   3.75303149  1
  H     4.07791207  1   1.86277328  1   2.36720869  1
  H     3.02616653  1   0.50559055  1   2.78472637  1
  H     0.97988695  1   1.89271612  1   2.21713158  1
  H     2.01094733  1   3.28776137  1   1.85601035  1
  H     1.93180599  1  -0.60152660  1   0.89960687  1
  H     1.90375831  1  -0.48509561  1  -0.86816464  1
  H    -0.36758687  1  -1.11752794  1  -0.01089613  1
  H    -0.46069231  1   0.48419901  1  -0.74901664  1
  H    -0.43546048  1   0.31986385  1   1.00993214  1